2729-0333 Screening compound: (2E)-2-{[(naphthalen-1-yl)amino]methylidene}-2,3-dihydro-1-benzothiophen-3-one

2729-0333 Screening compound: (2E)-2-{[(naphthalen-1-yl)amino]methylidene}-2,3-dihydro-1-benzothiophen-3-one
2729-0333 Screening compound: (2E)-2-{[(naphthalen-1-yl)amino]methylidene}-2,3-dihydro-1-benzothiophen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0333
(2E)-2-{[(naphthalen-1-yl)amino]methylidene}-2,3-dihydro-1-benzothiophen-3-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2729-0333

Molecular Formula

C19H13NOS (C19 H13 NOS)

Compound Name

(2E)-2-{[(naphthalen-1-yl)amino]methylidene}-2,3-dihydro-1-benzothiophen-3-one

IUPAC name

(2E)-2-{[(naphthalen-1-yl)amino]methylidene}-23-dihydro-1-benzothiophen-3-one

SMILES

O=C1c(cccc2)c2S/C1=C/Nc1cccc2ccccc12

InChI

InChI=1S/C19H13NOS/c21-19-15-9-3-4-11-17(15)22-18(19)12-20-16-10-5-7-13-6-1-2-8-14(13)16/h1-12,20H

InChI Key

CRFKLINFQDYEPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01168737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.624

Distribution Coefficient, logD

4.624

Water Solubility, LogSw

-5.12

Polar Surface Area

24.031

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2729-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0333?
Check Price and Availability of 2729-0333, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2729-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0333
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2729-0333 available by request